[2-(4-hexoxyphenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-hexoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-hexoxyphenyl)pyrimidin-5-yl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

InChI=1S/C22H30N2O3/c1-3-5-7-9-15-26-19-13-11-18(12-14-19)22-23-16-20(17-24-22)27-21(25)10-8-6-4-2/h11-14,16-17H,3-10,15H2,1-2H3